2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone

C14H17ClO3S — CID 115736295

IUPAC2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone
SMILESO=C(CS(=O)(=O)c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C14H17ClO3S/c15-12-8-4-5-9-14(12)19(17,18)10-13(16)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyHCSVTBJANSIBDV-UHFFFAOYSA-N
MW300.81 g/mol
LogP3.26
Rot. Bonds4

About 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone

2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone (PubChem CID 115736295) has the molecular formula C14H17ClO3S and a molecular weight of 300.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone
PubChem CID115736295
Molecular FormulaC14H17ClO3S
Molecular Weight300.81 g/mol
Exact Mass300.06
IUPAC Name2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone
SMILESO=C(CS(=O)(=O)c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C14H17ClO3S/c15-12-8-4-5-9-14(12)19(17,18)10-13(16)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyHCSVTBJANSIBDV-UHFFFAOYSA-N
XLogP3.26
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2-chlorophenyl)-1-cycloheptylethanone
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2-benzylsulfonyl-1-cyclohexylethanone
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2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine
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CID 104756093
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CID 130493433
2-cyclohexylsulfonyl-1-cyclopentylethanone
CID 104756158
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CID 61054249
3-(2-chlorophenyl)sulfonyl-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone?
The IUPAC name of 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone (CID 115736295) is 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone.
What is the SMILES notation for 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone?
The canonical SMILES for 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone is O=C(CS(=O)(=O)c1ccccc1Cl)C1CCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone?
The InChIKey is HCSVTBJANSIBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3S/c15-12-8-4-5-9-14(12)19(17,18)10-13(16)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2.
What are the key properties of 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone?
2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone has a molecular weight of 300.81 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone is sourced from PubChem (CID 115736295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).